CHEBI:223477 - Glysperin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Glysperin B
ChEBI ID CHEBI:223477
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H66N6O18
Net Charge 0
Average Mass 918.992
Monoisotopic Mass 918.44336
InChI InChI=1S/C40H66N6O18/c1-17(42)35(55)46-25-27(50)24(43)18(2)57-37(25)62-32-22(15-47)60-38(29(52)28(32)51)64-34-26(49)19(3)58-39(31(34)54)63-33-23(16-48)61-40(30(33)53)59-21-9-7-20(8-10-21)36(56)45-14-6-13-44-12-5-4-11-41/h7-10,17-18,22-34,37-40,44,47-54H,3-6,11-16,41-43H2,1-2H3,(H,45,56)(H,46,55)/t17-,18-,22+,23+,24+,25-,26+,27+,28-,29-,30+,31-,32+,33+,34-,37-,38+,39+,40-/m1/s1
InChIKey PGEKDAOSVRPCSY-AMGOUKICSA-N
SMILES O=C(NCCCNCCCCN)C1=CC=C(O[C@@H]2O[C@@H](CO)[C@@H]([C@@H]2O)O[C@@H]3OC(=C)[C@H](O)[C@H]([C@H]3O)O[C@@H]4O[C@H]([C@H](O[C@H]5O[C@@H]([C@H](N)[C@@H]([C@H]5NC(=O)[C@H](N)C)O)C)[C@@H]([C@H]4O)O)CO)C=C1
Metabolite of Species Details
Bacillus cereus (NCBI:txid1396) See: PubMed
ChEBI Ontology
Outgoing Glysperin B (CHEBI:223477) is a aminoglycoside (CHEBI:47779)
IUPAC Name
4-[(2S,3S,4R,5S)-4-[(2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6S)-5-[(2R,3R,4S,5R,6R)-5-amino-3-[[(2R)-2-aminopropanoyl]amino]-4-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-methylideneoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-(4-aminobutylamino)propyl]benzamide
Manual Xref Database
78443098 ChemSpider
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